Compound Identification
SMILES
OC(=O)C(F)(F)F.O=C(NCc1ccco1)[C@H]1CC[C@@H]2[C@@H](CCN2Cc2nccs2)O1
InChIKey
InChIKey=ABPLHNUSKCAWNT-RFMLDLTKSA-N
Formula
C19H22F3N3O5S
Mass
461.46
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic oxygen compounds
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Class
Organooxygen compounds
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Subclass
Carbohydrates and carbohydrate conjugates
- Level 5 Sugar acids and derivatives
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Subclass
Carbohydrates and carbohydrate conjugates
-
Class
Organooxygen compounds
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Superclass
Organic oxygen compounds
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbohydrates and carbohydrate conjugates
Intermediate Tree Nodes
Sugar acids and derivatives - Sugar amino acids and derivatives
Direct Parent
Pyranoid amino acids and derivatives
Alternative Parents
Aralkylamines Pyrans Oxanes N-alkylpyrrolidines Thiazoles Alpha-halocarboxylic acids Furans Heteroaromatic compounds Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Oxacyclic compounds Azacyclic compounds Carboxylic acids Dialkyl ethers Monocarboxylic acids and derivatives Carbonyl compounds Organopnictogen compounds Organofluorides Organic oxides Alkyl fluorides Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Pyranoid amino acid - Aralkylamine - Oxane - Pyran - N-alkylpyrrolidine - Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - Azole - Furan - Heteroaromatic compound - Pyrrolidine - Thiazole - Amino acid or derivatives - Carboxamide group - Tertiary aliphatic amine - Secondary carboxylic acid amide - Tertiary amine - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Oxacycle - Amine - Organic nitrogen compound - Alkyl halide - Carbonyl group - Organopnictogen compound - Alkyl fluoride - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Organonitrogen compound - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as pyranoid amino acids and derivatives. These are compounds containing a (hydro)pyran ring bearing unprotected amino and carboxylic acid functionalities.
External Descriptors
Not available